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bsj-7428
Quantum Theory of Atom in Molecules Investigation Trinuclear Ruthenium: DFT Approach
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The topological indices of the "[(µ3-2, 5-dioxyocyclohexylidene)-bis ((2-hydrido)-nonacarbonyltriruthenium]” were studied within the quantum theory of atoms in the molecule (QTAIM), clusters are
analyzed using the density functional theory (DFT). The estimated topological variables accord with prior
descriptions of comparable transition metal complexes. The Quantum Theory of Atom, in molecules
investigation of the bridging core component, Ru3H2, revealed critical binding points (chemical bonding)
between Ru (1) and Ru (2) and Ru (3). Consequently, delocalization index for this non-bonding interaction
was calculated in the core of Ru3H2, the interaction is of the (5centre–5electron) class.

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Publication Date
Wed May 01 2019
Journal Name
Iraqi Journal Of Science
Thermodynamics and Kinetics of Hydrogen Transfer Mechanism in1-[(E)-1, 3-Benzothiazol-2-Ylazo]Naphthalen-2-Ol Tautomers in Aqueous Medium/ Density Functional Theory
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     Enol-Keto tautomerism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol has been studied using the B3LYP functional of density functional theory (DFT) with 6-31G(d,p) basis set. Relative and absolute energies, transition state geometries (TS), dipole moments, entropies, enthalpies and Gibbs free energies, equilibrium constants (KT) and rate of tautomerization (kr) were calculated. Also, the computations of geometries and vibration frequencies for the tautomers were calculated and compared. The results of the calculations showed that the enol form is the most stable form than other isomers, this might be due to intra-hydrogen bonding. The TS1 activation energies for tautomer A ↔ B, ta

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Solution of Variavle Delay integral eqiations using Variational approach
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The main objective of this research is to use the methods of calculus ???????? solving integral equations Altbataah When McCann slowdown is a function of time as the integral equation used in this research is a kind of Volterra

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Publication Date
Thu Dec 21 2023
Journal Name
Mathematical Modelling Of Engineering Problems
Enhancing Spatial Accuracy of OpenStreetMap Data: A Geometric Approach
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OpenStreetMap (OSM), recognised for its current and readily accessible spatial database, frequently serves regions lacking precise data at the necessary granularity. Global collaboration among OSM contributors presents challenges to data quality and uniformity, exacerbated by the sheer volume of input and indistinct data annotation protocols. This study presents a methodological improvement in the spatial accuracy of OSM datasets centred over Baghdad, Iraq, utilising data derived from OSM services and satellite imagery. An analytical focus was placed on two geometric correction methods: a two-dimensional polynomial affine transformation and a two-dimensional polynomial conformal transformation. The former involves twelve coefficients for ad

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Publication Date
Sun Jan 01 2012
Journal Name
International Journal Of Cyber-security And Digital Forensics (ijcsdf)
Genetic Algorithm Approach for Risk Reduction of Information Security
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Nowadays, information systems constitute a crucial part of organizations; by losing security, these organizations will lose plenty of competitive advantages as well. The core point of information security (InfoSecu) is risk management. There are a great deal of research works and standards in security risk management (ISRM) including NIST 800-30 and ISO/IEC 27005. However, only few works of research focus on InfoSecu risk reduction, while the standards explain general principles and guidelines. They do not provide any implementation details regarding ISRM; as such reducing the InfoSecu risks in uncertain environments is painstaking. Thus, this paper applied a genetic algorithm (GA) for InfoSecu risk reduction in uncertainty. Finally, the ef

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Publication Date
Wed Dec 25 2019
Journal Name
Journal Of Engineering
Non-deterministic Approach for Reliability Evaluation of Steel Beam
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This paper aims to evaluate the reliability analysis for steel beam which represented by the probability of Failure and reliability index. Monte Carlo Simulation Method (MCSM) and First Order Reliability Method (FORM) will be used to achieve this issue. These methods need two samples for each behavior that want to study; the first sample for resistance (carrying capacity R), and second for load effect (Q) which are parameters for a limit state function. Monte Carlo method has been adopted to generate these samples dependent on the randomness and uncertainties in variables. The variables that consider are beam cross-section dimensions, material property, beam length, yield stress, and applied loads. Matlab software has be

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Publication Date
Mon Dec 28 2020
Journal Name
Journal Of The College Of Education For Women
Cognitive Implications of Usage-Based Approach: رغد فهمي اعجمي
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Tremendous efforts have been exerted to understand first language acquisition to facilitate second language learning. The problem lies in the difficulty of mastering English language and adapting a theory that helps in overcoming the difficulties facing students. This study aims to apply Thomasello's theory of language mastery through usage. It assumes that adults can learn faster than children and can learn the language separately, and far from academic education. Tomasello (2003) studied the stages of language acquisition for children, and developed his theory accordingly. Some studies, such as: (Ghalebi and Sadighi, 2015, Arvidsson, 2019; Munoz, 2019; Verspoor and Hong, 2013) used this theory when examining language acquisition. Thus,

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Publication Date
Wed Dec 11 2019
Journal Name
Aip Conference Proceedings
Quantization approach to steganography perceptual color spaces
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In this study, we present a new steganography method depend on quantizing the perceptual color spaces bands. Four perceptual color spaces are used to test the new method which is HSL, HSV, Lab and Luv, where different algorithms to calculate the last two-color spaces are used. The results reveal the validity of this method as a steganoic method and analysis for the effects of quantization and stegano process on the quality of the cover image and the quality of the perceptual color spaces bands are presented.

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Publication Date
Wed Jan 15 2025
Journal Name
Iraqi Journal Of Science
Intrusion Detection Approach Based on DNA Signature
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Publication Date
Sat Sep 01 2012
Journal Name
Journal Of Economics And Administrative Sciences
New Approach for Solving Multi – Objective Problems
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  There are many researches deals with constructing an efficient solutions for real problem having Multi - objective confronted with each others. In this paper we construct a decision for Multi – objectives based on building a mathematical model formulating a unique objective function by combining the confronted objectives functions. Also we are presented some theories concerning this problem. Areal application problem has been presented to show the efficiency of the performance of our model and the method. Finally we obtained some results by randomly generating some problems.

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Publication Date
Wed Aug 30 2023
Journal Name
Iraqi Journal Of Science
New Approach for Calculate Exponential Integral Function
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     This manuscript presents a new approach to accurately calculating exponential integral function that arises in many applications such as contamination, groundwater flow, hydrological problems and mathematical physics. The calculation is obtained with easily computed components without any restrictive assumptions

     A detailed comparison of the execution times is performed. The calculated results by the suggested approach are better and faster accuracy convergence than those calculated by other methods. Error analysis of the calculations is studied using the absolute error and high convergence is achieved. The suggested approach out-performs all previous methods  used to calculate this function and this decision is

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